propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate

C14H23N3O3Si — CID 73053474

IUPACpropan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
SMILESCC(C)OC(=O)c1nc(C#N)cn1COCC[Si](C)(C)C
InChIInChI=1S/C14H23N3O3Si/c1-11(2)20-14(18)13-16-12(8-15)9-17(13)10-19-6-7-21(3,4)5/h9,11H,6-7,10H2,1-5H3
InChIKeyFPIMWHPUOQBCOE-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.63
Rot. Bonds7

About propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate

propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate (PubChem CID 73053474) has the molecular formula C14H23N3O3Si and a molecular weight of 309.44 g/mol. Its IUPAC name is propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
PubChem CID73053474
Molecular FormulaC14H23N3O3Si
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Namepropan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
SMILESCC(C)OC(=O)c1nc(C#N)cn1COCC[Si](C)(C)C
InChIInChI=1S/C14H23N3O3Si/c1-11(2)20-14(18)13-16-12(8-15)9-17(13)10-19-6-7-21(3,4)5/h9,11H,6-7,10H2,1-5H3
InChIKeyFPIMWHPUOQBCOE-UHFFFAOYSA-N
XLogP2.63
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 58754861
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 140929543
[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid
CID 22343067
2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58765592
2-[2-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile
CID 58386997
potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 160723156
2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile
CID 58386978
6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 141450366
tert-butyl 4-[5-[2-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-oxoethyl]-6-(cyclohexen-1-yl)-2-pyridinyl]piperidine-1-carboxylate
CID 160992227

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
The IUPAC name of propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate (CID 73053474) is propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
The canonical SMILES for propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate is CC(C)OC(=O)c1nc(C#N)cn1COCC[Si](C)(C)C.
What is the InChIKey of propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
The InChIKey is FPIMWHPUOQBCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3Si/c1-11(2)20-14(18)13-16-12(8-15)9-17(13)10-19-6-7-21(3,4)5/h9,11H,6-7,10H2,1-5H3.
What are the key properties of propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate has a molecular weight of 309.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate is sourced from PubChem (CID 73053474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).